N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H17F3N2O — CID 101433345

IUPACN-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1cccc1C(NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O/c1-25-13-5-8-17(25)18(24-19(26)15-6-3-2-4-7-15)14-9-11-16(12-10-14)20(21,22)23/h2-13,18H,1H3,(H,24,26)
InChIKeyOQKKZNBPJGCEMD-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.56
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide

N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 101433345) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID101433345
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC NameN-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1cccc1C(NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O/c1-25-13-5-8-17(25)18(24-19(26)15-6-3-2-4-7-15)14-9-11-16(12-10-14)20(21,22)23/h2-13,18H,1H3,(H,24,26)
InChIKeyOQKKZNBPJGCEMD-UHFFFAOYSA-N
XLogP4.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 2315863
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 101433345) is N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide is Cn1cccc1C(NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OQKKZNBPJGCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-25-13-5-8-17(25)18(24-19(26)15-6-3-2-4-7-15)14-9-11-16(12-10-14)20(21,22)23/h2-13,18H,1H3,(H,24,26).
What are the key properties of N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 358.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 101433345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).